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Tungsten GAP | Tungsten GAP model files |

Tungsten Training Configurations | Tungsten training configuration files with DFT data |

Iron GAP | Iron GAP model files arXiv preprint |

Iron Training Configurations | Iron configurations with DFT data |

Water and ice | pure liquid and solid water, multiple ice phases |

Methane - Water | H_{2}O - CH_{4} dimer |

- gap_dft_corrections_water.tgz: GAP models for 1- and 2-body corrections for water taking DFT as a baseline and CCSD(T) as the target. Includes corrections to BLYP, PBE and PBE0 functionals.
- gap_dft_corrections_ch4_h2o.tgz: GAP models for 1- and 2-body corrections taking DFT as a baseline and CCSD(T) as the target
- gap_dft_1_2_body_LiH2O.tgz: gap_dft_1_2_body_LiH2O.tgz

Boron | GAP-RSS model for elemental B; see paper: Phys. Rev. Lett. 120, 156001 |

Amorphous carbon | GAP model for liquid and amorphous carbon; see paper: Phys. Rev. B 95, 094203 |

Graphene | GAP model for a single graphene sheet, see paper: Phys. Rev. B 97, 054303 |

Bulk semiconductors | Potentials in the 2010 PRL for C, Si, Ge and GaN - these are just for testing, they are not suitable for materials modelling |

Topic revision: r19 - 10 Apr 2018, VolkerDeringer

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